2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C16H22N2O3 — CID 62703000

IUPAC2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCC1CN(c2nc3c(cc2C(=O)O)CCCC3)CC(C)O1
InChIInChI=1S/C16H22N2O3/c1-10-8-18(9-11(2)21-10)15-13(16(19)20)7-12-5-3-4-6-14(12)17-15/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,20)
InChIKeyJJWNLOURBRBWEN-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.27
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 62703000) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID62703000
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCC1CN(c2nc3c(cc2C(=O)O)CCCC3)CC(C)O1
InChIInChI=1S/C16H22N2O3/c1-10-8-18(9-11(2)21-10)15-13(16(19)20)7-12-5-3-4-6-14(12)17-15/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,20)
InChIKeyJJWNLOURBRBWEN-UHFFFAOYSA-N
XLogP2.27
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 62703000) is 2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is CC1CN(c2nc3c(cc2C(=O)O)CCCC3)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is JJWNLOURBRBWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-8-18(9-11(2)21-10)15-13(16(19)20)7-12-5-3-4-6-14(12)17-15/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 62703000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).